4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride

C12H20ClN5 — CID 6431834

IUPAC4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(/N=N/N(C)CC(C)C)cc1
InChIInChI=1S/C12H19N5.ClH/c1-9(2)8-17(3)16-15-11-6-4-10(5-7-11)12(13)14;/h4-7,9H,8H2,1-3H3,(H3,13,14);1H/b16-15+;
InChIKeyGDJFSGMXUXDKEW-GEEYTBSJSA-N
MW269.78 g/mol
LogP2.98
Rot. Bonds5

About 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride

4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride (PubChem CID 6431834) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
PubChem CID6431834
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(/N=N/N(C)CC(C)C)cc1
InChIInChI=1S/C12H19N5.ClH/c1-9(2)8-17(3)16-15-11-6-4-10(5-7-11)12(13)14;/h4-7,9H,8H2,1-3H3,(H3,13,14);1H/b16-15+;
InChIKeyGDJFSGMXUXDKEW-GEEYTBSJSA-N
XLogP2.98
TPSA77.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-[[4-carbamimidoyl-N-(3-hydroxypropyl)anilino]diazenyl]benzenecarboximidamide
CID 10088567
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285521
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 55010658
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride (CID 6431834) is 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(/N=N/N(C)CC(C)C)cc1.
What is the InChIKey of 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride?
The InChIKey is GDJFSGMXUXDKEW-GEEYTBSJSA-N. The full InChI is InChI=1S/C12H19N5.ClH/c1-9(2)8-17(3)16-15-11-6-4-10(5-7-11)12(13)14;/h4-7,9H,8H2,1-3H3,(H3,13,14);1H/b16-15+;.
What are the key properties of 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride?
4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 6431834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).